Geometry & MOs

Info

ID:	72645
PubChem CID:	48416394
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-134.57
Dipole, Da:	3.94
IP(EA), eV:	-9.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-oxo-5-[3-oxo-3-[3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CN2CCSC2=O)N3CCNC3=O

DOS

IR

Vibrations